UCSF

ZINC22717272

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 35 Yes

Popular Name: 2-[4-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[e]pyridin-2-yl)sulfanyl]acetyl]amino]phenyl]quinoline-4 2-[4-[[2-[(3-cyano-6,7-dihydro-5…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.72 12.67 -64.66 1 7 -1 119 479.541 6 ↓
Lo Low (pH 4.5-6) 4.72 12.99 -46.7 2 7 0 120 480.549 6 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.